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	hartrees
Energy at 0K	-475.512182
Energy at 298.15K	-475.512977
Nuclear repulsion energy	237.306141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1871	1799	0.00
2	A_g	729	701	0.00
3	A_g	360	346	0.00
4	A_u	184	177	0.00
5	B_1u	1107	1064	284.26
6	B_1u	497	477	5.39
7	B_2g	522	502	0.00
8	B_2u	1243	1195	334.19
9	B_2u	198	190	8.23
10	B_3g	1235	1187	0.00
11	B_3g	522	501	0.00
12	B_3u	384	369	8.41

Atom	y (Å)	z (Å)
C1	0.000	0.668
C2	0.000	-0.668
F3	1.139	1.421
F4	-1.139	1.421
F5	-1.139	-1.421
F6	1.139	-1.421

	C1	C2	F3	F4	F5	F6
C1		1.3350	1.3660	1.3660	2.3793	2.3793
C2	1.3350		2.3793	2.3793	1.3660	1.3660
F3	1.3660	2.3793		2.2780	3.6431	2.8429
F4	1.3660	2.3793	2.2780		2.8429	3.6431
F5	2.3793	1.3660	3.6431	2.8429		2.2780
F6	2.3793	1.3660	2.8429	3.6431	2.2780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	123.502	C1	C2	F6	123.502
C2	C1	F3	123.502	C2	C1	F4	123.502
F3	C1	F4	112.995	F5	C2	F6	112.995

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.346
2	C	0.346
3	F	-0.173
4	F	-0.173
5	F	-0.173
6	F	-0.173

<r²>	145.259
(<r²>)^1/2	12.052

All results from a given calculation for C2F4 (Tetrafluoroethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₂F₄ (Tetrafluoroethylene)